Self-Assembly and Waterlike Anomalies in Janus Nanoparticles

TL;DR

This study uses molecular dynamics to investigate how Janus nanoparticles with one waterlike anomalous monomer exhibit phase behavior, anomalies, and self-assembly, revealing the influence of non-anomalous monomers on these properties.

Contribution

It demonstrates that Janus nanoparticles with one anomalous monomer can retain diffusion anomalies and form diverse self-assembled structures, depending on monomer interactions.

Findings

Diffusion anomaly persists in Janus nanoparticles.

Density anomaly may disappear based on non-anomalous monomer properties.

Self-assembled structures are influenced by monomer interactions.

Abstract

We explore the pressure versus temperature phase diagram of dimeric Janus nanoparticles using Molecular Dynamics simulations. The nanoparticle was modeled as a dumbbells particle, and have one monomer that interacts by a standard Lennard Jones potential and another monomer that is modeled using a two-length scale shoulder potential. Monomeric and dimeric systems modeled by this shoulder potential show waterlike anomalies, and we investigate if a Janus nanoparticle composed by one anomalous monomer will exhibit anomalous behavior and self-assembly structures. The influence of the non-anomalous monomer in the dimeric system properties was explored. We show that the diffusion anomaly is maintained, while the density anomaly can disappear depending on the non-anomalous monomer characteristics. As well, the self-assembled structures are affected. Our results are discussed in the basis of the distinct monomer-monomer interactions and on the two-length scale fluid characteristics.